1173022-16-6 | Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one, 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]-, hydrochloride (1:1)

Packsize	Purity	Availability	Price	Discounted Price
1mg	98%	in stock	$44.00	$31.00
5mg	98%	in stock	$110.00	$77.00
10mg	98%	in stock	$171.00	$120.00
25mg	98%	in stock	$371.00	$260.00
50mg	98%	in stock	$663.00	$464.00

Description

• Catalog Number: AA18072
• Chemical Name: Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one, 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]-, hydrochloride (1:1)
• CAS Number: 1173022-16-6
• Molecular Formula: C21H22ClF3N2O2
• Molecular Weight: 426.8598
• MDL Number: MFCD08703093
• SMILES: O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F.Cl

Computed Properties

• Complexity: 552
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 29
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 3

Upstream Synthesis Route

The compound 1'-[2-[4-(Trifluoromethyl)phenyl]ethyl]-spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one hydrochloride, hereafter referred to as $name$, is a versatile reagent in chemical synthesis. $name$ is commonly employed as a building block in the preparation of various organic compounds due to its unique structural features and reactive sites.One of the key applications of $name$ in chemical synthesis is its use as a challenging yet highly valuable starting material for the synthesis of complex heterocyclic compounds. The presence of the spirocyclic benzoxazine and piperidine moieties in $name$ confers it with distinct steric and electronic properties that can be strategically harnessed in the design of novel molecules.Moreover, the trifluoromethyl substituent attached to the phenyl group of $name$ imparts unique physicochemical properties to the compound, making it a desirable building block for the synthesis of fluorinated organic molecules. This fluorinated motif is often leveraged in medicinal chemistry and materials science to enhance biological activity or modify the properties of materials.In conclusion, the strategic incorporation of 1'-[2-[4-(Trifluoromethyl)phenyl]ethyl]-spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one hydrochloride, or $name$, in chemical synthesis enables the synthesis of diverse and intricate organic compounds with potential applications in pharmaceuticals, agrochemicals, and materials science.

Literature

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